N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C26H26N2O4 — CID 56560369

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O4/c1-26(2)14-21-19(22(29)15-26)13-20(24(30)27-21)25(31)28-23(16-7-5-4-6-8-16)17-9-11-18(32-3)12-10-17/h4-13,23H,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyXWMDRQBUEVGXMH-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.06
Rot. Bonds5

About N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56560369) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56560369
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O4/c1-26(2)14-21-19(22(29)15-26)13-20(24(30)27-21)25(31)28-23(16-7-5-4-6-8-16)17-9-11-18(32-3)12-10-17/h4-13,23H,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyXWMDRQBUEVGXMH-UHFFFAOYSA-N
XLogP4.06
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56560369) is N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is COc1ccc(C(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is XWMDRQBUEVGXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-26(2)14-21-19(22(29)15-26)13-20(24(30)27-21)25(31)28-23(16-7-5-4-6-8-16)17-9-11-18(32-3)12-10-17/h4-13,23H,14-15H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56560369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).